Molecule ID: mol18633
SMILES: CCN(CC)CCCCCOc1cc2oc3cc(OCCCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C
InChI: InChI=1S/C42H64N2O6/c1-10-43(11-2)24-16-14-18-26-48-34-28-36-39(40(45)32(34)22-20-30(5)6)41(46)38-33(23-21-31(7)8)42(47-9)37(29-35(38)50-36)49-27-19-15-17-25-44(12-3)13-4/h20-21,28-29,45H,10-19,22-27H2,1-9H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.98 | OCHEM | 0 » -1 |
| 10.98 | Baltruschat ChEMBL | 0 » -1 |